3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione

C12H15ClN4O2 — CID 80951811

IUPAC3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCC(C)c1nc(Cl)cc(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H15ClN4O2/c1-6(2)11-15-8(13)5-9(16-11)14-7-4-10(18)17(3)12(7)19/h5-7H,4H2,1-3H3,(H,14,15,16)
InChIKeyUZWBDFBOFOOTBJ-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.42
Rot. Bonds3

About 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 80951811) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID80951811
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCC(C)c1nc(Cl)cc(NC2CC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H15ClN4O2/c1-6(2)11-15-8(13)5-9(16-11)14-7-4-10(18)17(3)12(7)19/h5-7H,4H2,1-3H3,(H,14,15,16)
InChIKeyUZWBDFBOFOOTBJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 80951811) is 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione is CC(C)c1nc(Cl)cc(NC2CC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is UZWBDFBOFOOTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-6(2)11-15-8(13)5-9(16-11)14-7-4-10(18)17(3)12(7)19/h5-7H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 282.73 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 80951811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).